Pb<sub>2</sub>B<sub>5</sub>O<sub>9</sub>I: An Iodide Borate with Strong Second Harmonic Generation
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The combination of lone-pair effects on Pb2+ cations and the smaller electronegativity of I− anions into the pentaborate framework generates a phase-matchable material, Pb2B5O9I, with the largest powder SHG response among borates, about 13.5 times that of KDP (KH2PO4), and transparency over the near-UV to middle-IR region. DFT calculations on electronic structure and cutoff-energy-dependent SHG coefficients confirm these origins.
创建时间：
2016-02-24
